ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate

C20H24N2O3 — CID 22721819

IUPACethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-25-19(23)15-22(14-17-11-7-4-8-12-17)20(24)18(21)13-16-9-5-3-6-10-16/h3-12,18H,2,13-15,21H2,1H3
InChIKeyMQTCQNBIJOCDKF-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.15
Rot. Bonds8

About ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate

ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate (PubChem CID 22721819) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
PubChem CID22721819
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-25-19(23)15-22(14-17-11-7-4-8-12-17)20(24)18(21)13-16-9-5-3-6-10-16/h3-12,18H,2,13-15,21H2,1H3
InChIKeyMQTCQNBIJOCDKF-UHFFFAOYSA-N
XLogP2.15
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-benzylamino]acetate
CID 54408165
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 163240345
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
3-amino-4-[benzyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 64896315
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate?
The IUPAC name of ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate (CID 22721819) is ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate?
The InChIKey is MQTCQNBIJOCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-25-19(23)15-22(14-17-11-7-4-8-12-17)20(24)18(21)13-16-9-5-3-6-10-16/h3-12,18H,2,13-15,21H2,1H3.
What are the key properties of ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate?
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate has a molecular weight of 340.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate is sourced from PubChem (CID 22721819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).